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Details

Stereochemistry ABSOLUTE
Molecular Formula C79H114N20O30
Molecular Weight 1823.8665
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [SURVIVIN (65-79)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O

InChI

InChIKey=CPIBYPRMIZEFBF-LTOKJYPFSA-N
InChI=1S/C79H114N20O30/c1-3-39(2)65(76(125)90-47(20-24-60(105)106)68(117)89-46(19-23-59(103)104)69(118)93-51(31-41-36-83-38-86-41)71(120)88-45(14-6-8-26-80)67(116)92-49(79(128)129)15-7-9-27-81)97-75(124)56-17-11-29-99(56)78(127)54(34-64(113)114)96-73(122)52(32-62(109)110)94-72(121)53(33-63(111)112)95-74(123)55-16-10-28-98(55)77(126)48(21-25-61(107)108)91-70(119)50(30-40-35-84-44-13-5-4-12-42(40)44)87-57(100)37-85-66(115)43(82)18-22-58(101)102/h4-5,12-13,35-36,38-39,43,45-56,65,84H,3,6-11,14-34,37,80-82H2,1-2H3,(H,83,86)(H,85,115)(H,87,100)(H,88,120)(H,89,117)(H,90,125)(H,91,119)(H,92,116)(H,93,118)(H,94,121)(H,95,123)(H,96,122)(H,97,124)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,128,129)/t39-,43-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,65-/m0/s1

HIDE SMILES / InChI

Molecular Formula C79H114N20O30
Molecular Weight 1823.8665
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:20:47 GMT 2025
Edited
by admin
on Wed Apr 02 12:20:47 GMT 2025
Record UNII
S8YJS34LWX
Record Status alternative
Record Version
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Primary Definition